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These changes make it unnecessary to copy header files around during the build process, which tends to confuse IDEs and debuggers. The headers which comprise Cantera's external C++ interface are now in the 'include' directory. All of the samples and demos are now in the 'samples' subdirectory.
95 lines
3 KiB
Fortran
95 lines
3 KiB
Fortran
c
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c This example shows how to implement subroutines that emulate those
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c of the Chemkin CKLIB library. This may be useful to port an
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c existing Chemkin-based application to Cantera. As shown here, the
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c subroutine names begin with 'ct' instead of 'ck', so that Cantera
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c and CKLIB subroutines can be both used in an application, if
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c desired. It is also possible to rename these subroutines with the
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c 'ck' prefix if the application is not linked to the Chemkin CKLIB
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c library. In this case, application programs do not need to be
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c modified or recompiled - they only need to be relinked.
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c
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c Only a few subroutines are implemented here, but the same idea can
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c be applied to create Cantera-based versions of any other
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c subroutines in the CKLIB library.
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c
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c-----------------------------------------------------------------------
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c example driver program
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program ctck
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implicit double precision (a-h,o-z)
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double precision rckwrk(1)
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integer ickwrk(1)
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parameter (MAXSP = 100)
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double precision y(MAXSP), wdot(MAXSP)
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c Read in the reaction mechanism. Since this is done differently
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c than in Chemkin, this function does not correspond to any CKLIB
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c subroutine.
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call newIdealGasMix('gri30.cti','gri30','')
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c get the number of elements, species, and reactions
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call ctindx(ickwrk, rckwrk, mm, kk, ii)
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do k = 1, kk
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y(k) = 1.0/kk
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end do
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c compute the net production rates in cgs units
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p = 1.0d6
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t = 2500.0d0
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call ctwyp(p, t, y, ickwrk, rckwrk, wdot)
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do k = 1, kk
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write(*,*) k, y(k), wdot(k)
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end do
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stop
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end
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c----------------------------------------------------------------------
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c
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c The subroutines below emulate ones in the Chemkin CKLIB
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c library. They are implemented in terms of the procedures in
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c demo_ftnlib. It would also be possible to rewrite demo_ftnlib to
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c implement a Chemkin-like interface directly. Note that the arrays
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c ickwrk and rckwrk are passed in for consistency with the Chemkin
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c interface specification, but the are not used. These may simply be
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c dummy arrays, as in the main program above.
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c
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c CTINDX: get the number of elements, species, and reactions
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subroutine ctindx(ickwrk, rckwrk, mm, kk, ii)
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implicit double precision (a-h,o-z)
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mm = nElements()
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kk = nSpecies()
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ii = nReactions()
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return
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end
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c CTWYP: get the net molar production rates, given the pressure,
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c temperature, and array of mass fractions.
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subroutine ctwyp(p,t,y,ickwrk,rckwrk,wdot)
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implicit double precision (a-h,o-z)
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double precision y(*), rckwrk(*), wdot(*)
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integer ickwrk(*)
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c set the state
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psi = 0.1*p
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call setState_TPY(t, psi, y)
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c get the net production rates
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call getNetProductionRates(wdot)
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c convert SI -> cgs
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nsp = nSpecies()
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do k = 1, nsp
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wdot(k) = 1.0d3*wdot(k)
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end do
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return
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end
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